Data quality metrics extracted from 7ayb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "e010eca80ac0a15a8e42ee1398c260d0",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 71.47,
    "b": 71.47,
    "c": 145.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.89,1.85],
    "number_observations_unique": 37465,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "R(meas)",
        "value": 0.048
      },
      {
        "type": "R(pim)",
        "value": 0.011
      },
      {
        "type": "I/SigI",
        "value": 28.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 19.3
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.85],
      "number_observations_unique": 2722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.894
        },
        {
          "type": "R(meas)",
          "value": 1.959
        },
        {
          "type": "R(pim)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 15.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.703
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell
Low resolution limit [Å] 61.890 1.900
High resolution limit [Å] 1.850 1.850
R(merge) 0.0470 1.8940
R(meas) 0.0480 1.9590
R(pim) 0.0110 0.4970
CC(1/2) 1.000 0.703
Completeness [%] 100.0 100.0
Multiplicity 19.3 15.1


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
1.900-1.850 1.8940 1.9590 0.4970 0.703 100.0 15.1